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PDB: 61 件
6XVJ
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Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor
分子名称: Vascular endothelial growth factor receptor 2, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
著者Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
登録日2020-01-22
公開日2020-05-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
6G7C
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Nt2-CTD domains of the TssA component from the type VI secretion system of Aeromonas hydrophila.
分子名称: ImpA-related domain protein
著者Dix, S.D, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S.
登録日2018-04-05
公開日2018-11-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
6G7B
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Nt2 domain of the TssA component from the type VI secretion system of Aeromonas hydrophila.
分子名称: ImpA-related domain protein
著者Dix, S.D, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S.
登録日2018-04-05
公開日2018-11-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
6H8F
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Fragment of the C-terminal domain of the TssA component of the type VI secretion system from Burkholderia cenocepacia
分子名称: TssA
著者Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S.
登録日2018-08-02
公開日2018-11-21
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
6H8E
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Truncated derivative of the C-terminal domain of the TssA component of the type VI secretion system from Burkholderia cenocepacia
分子名称: Type VI secretion protein ImpA
著者Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S.
登録日2018-08-02
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
6HS5
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N-terminal domain including the conserved ImpA_N region of the TssA component of the type VI secretion system from Burkholderia cenocepacia
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, TssA
著者Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S.
登録日2018-09-28
公開日2018-11-21
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
6HS6
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C-terminal domain of the TssA component of the type VI secretion system from Burkholderia cenocepacia
分子名称: Type VI secretion protein ImpA
著者Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S.
登録日2018-09-28
公開日2018-11-21
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
7PZT
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Structure of the bacterial toxin, TecA, an asparagine deamidase from Alcaligenes faecalis.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Urea amidohydrolase
著者Dix, S.R, Aziz, A.A, Baker, P.J, Evans, C.A, Dickman, M.J, Farthing, R.J, King, Z.L.S, Nathan, S, Partridge, L.J, Raih, F.M, Sedelnikova, S.E, Thomas, M.S, Rice, D.W.
登録日2021-10-13
公開日2022-11-02
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The structure of A. faecalis TecA provides insights into its role as an asparagine deamidase toxin which targets RhoA
To Be Published
2X1N
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Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design
分子名称: 2-METHYL-N-[(1Z)-3-NITROCYCLOHEXA-2,4-DIEN-1-YLIDENE]-4,5-DIHYDRO[1,3]THIAZOLO[4,5-H]QUINAZOLIN-8-AMINE, ACE-LEU-ASN-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, ...
著者Kontopidis, G, Andrews, M.J, McInnes, C, Plater, A, Innes, L, Renachowski, S, Cowan, A, Fischer, P.M, McIntyre, N.A, Griffiths, G, Barnett, A.L, Slawin, A.M.Z, Jackson, W, Thomas, M, Zheleva, D.I, Wang, S, Blake, D.G, Westwood, N.J.
登録日2009-12-31
公開日2010-02-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Design, Synthesis, and Evaluation of 2-Methyl- and 2-Amino-N-Aryl-4,5-Dihydrothiazolo[4,5-H]Quinazolin-8-Amines as Ring-Constrained 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Cyclin-Dependent Kinase Inhibitors.
J.Med.Chem., 53, 2010
2C5V
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Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design
分子名称: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE, ALA-ALA-ABA-ARG-SER-LEU-ILE-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, ...
著者Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M.
登録日2005-11-02
公開日2006-03-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
2I04
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X-ray crystal structure of MAGI-1 PDZ1 bound to the C-terminal peptide of HPV18 E6
分子名称: Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1, SULFATE ION, ...
著者Chen, X.S, Zhang, Y, Dasgupta, J, Banks, L, Thomas, M.
登録日2006-08-09
公開日2007-02-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structures of a Human Papillomavirus (HPV) E6 Polypeptide Bound to MAGUK Proteins: Mechanisms of Targeting Tumor Suppressors by a High-Risk HPV Oncoprotein.
J.Virol., 81, 2007
2C5Y
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DIFFERENTIAL BINDING OF INHIBITORS TO ACTIVE AND INACTIVE CDK2 PROVIDES INSIGHTS FOR DRUG DESIGN
分子名称: CELL DIVISION PROTEIN KINASE 2, HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM
著者Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M.
登録日2005-11-03
公開日2006-03-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
2C5O
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Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design
分子名称: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
著者Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M.
登録日2005-10-30
公開日2006-03-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
2C5X
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Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design
分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM
著者Kontopidis, G, Mcinnes, C, Pandalaneni, S.R, Mcnae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M.
登録日2005-11-03
公開日2006-03-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
2C5N
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Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design
分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE
著者Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M.
登録日2005-10-30
公開日2006-03-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
2I0L
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X-ray crystal structure of Sap97 PDZ2 bound to the C-terminal peptide of HPV18 E6.
分子名称: Disks large homolog 1, peptide E6
著者Chen, X.S, Zhang, Y, Dasgupta, J, Banks, L, Thomas, M.
登録日2006-08-10
公開日2007-02-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structures of a Human Papillomavirus (HPV) E6 Polypeptide Bound to MAGUK Proteins: Mechanisms of Targeting Tumor Suppressors by a High-Risk HPV Oncoprotein.
J.Virol., 81, 2007
2I0I
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X-ray crystal structure of Sap97 PDZ3 bound to the C-terminal peptide of HPV18 E6
分子名称: Disks large homolog 1, peptide E6
著者Chen, X.S, Zhang, Y, Dasgupta, J, Banks, L, Thomas, M.
登録日2006-08-10
公開日2007-02-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of a Human Papillomavirus (HPV) E6 Polypeptide Bound to MAGUK Proteins: Mechanisms of Targeting Tumor Suppressors by a High-Risk HPV Oncoprotein.
J.Virol., 81, 2007
2WBQ
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Crystal structure of VioC in complex with (2S,3S)-hydroxyarginine
分子名称: (2S,3S)-3-HYDROXYARGININE, ACETATE ION, L-ARGININE BETA-HYDROXYLASE
著者Helmetag, V, Samel, S.A, Thomas, M.G, Marahiel, M.A, Essen, L.-O.
登録日2009-03-02
公開日2009-06-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural Basis for the Erythro-Stereospecificity of the L-Arginine Oxygenase Vioc in Viomycin Biosynthesis.
FEBS J., 276, 2009
2WBP
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Crystal structure of VioC in complex with Fe(II), (2S,3S)- hydroxyarginine, and succinate
分子名称: (2S,3S)-3-HYDROXYARGININE, ARGININE, FE (II) ION, ...
著者Helmetag, V, Samel, S.A, Thomas, M.G, Marahiel, M.A, Essen, L.-O.
登録日2009-03-02
公開日2009-06-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Structural Basis for the Erythro-Stereospecificity of the L-Arginine Oxygenase Vioc in Viomycin Biosynthesis.
FEBS J., 276, 2009
2WBO
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Crystal structure of VioC in complex with L-arginine
分子名称: ARGININE, FE (II) ION, L(+)-TARTARIC ACID, ...
著者Helmetag, V, Samel, S.A, Thomas, M.G, Marahiel, M.A, Essen, L.-O.
登録日2009-03-02
公開日2009-06-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural Basis for the Erythro-Stereospecificity of the L-Arginine Oxygenase Vioc in Viomycin Biosynthesis.
FEBS J., 276, 2009
1PXN
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol
分子名称: 4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL, Cell division protein kinase 2
著者Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M.
登録日2003-07-04
公開日2004-04-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
1PXP
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-N',N'-dimethyl-benzene-1,4-diamine
分子名称: Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE
著者Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M.
登録日2003-07-04
公開日2004-04-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
1PXO
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine
分子名称: Cell division protein kinase 2, [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
著者Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M.
登録日2003-07-04
公開日2004-04-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
1PXM
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 3-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol
分子名称: 3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL, Cell division protein kinase 2
著者Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M.
登録日2003-07-04
公開日2004-04-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
4LID
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A100, A DNA binding scaffold from Sulfolobus spindle-shape virus 1
分子名称: A-100
著者Eilers, B.J, Wagner, C, Thomas, M.M, Lawrence, C.M, Young, M.J.
登録日2013-07-02
公開日2014-09-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A100, A DNA binding scaffold from Sulfolobus spindle-shape virus 1
To be Published

221051

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